SCHEMBL4991344

SCHEMBL4991344

O=C(O)C(CS)C(=O)NCC(O)CNC(=O)C(CS)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 2/20 0.35
PTGS1 P23219 1/20 0.34
SLC7A11 Q9UPY5 1/20 0.34
ACE P12821 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP2 P08253 1/20 0.33
BCHE P06276 3/20 0.32
FOLH1 Q04609 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4990422 0.83 MMP2 (0.32) MMP2
SCHEMBL4991495 0.82 MMP1 (0.35)
SCHEMBL4993156 0.82 ACE (0.32) ACEKDM4EMAPTTHRBALOX15
SCHEMBL4989727 0.80 MME (0.32) SMN1; SMN2
SCHEMBL4986150 0.79 USP2 (0.41) ENPEPPTGS1SLC7A11ACEKDM4E
SCHEMBL4995038 0.79
SCHEMBL4986394 0.77 MMP8 (0.36)
SCHEMBL4988065 0.76 FNTA (0.43) ENPEPPTGS1SLC7A11ACEKDM4E
SCHEMBL20482750 0.70
SCHEMBL12238830 0.69

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080138309-A1 Use Of Aminodithiol As A Reducing Agent For Hair Perming L'OREAL S.A. (FR) 2008-06-12 US claimed
EP-1844007-A1 USE OF AMINODITHIOL AS A REDUCING AGENT FOR HAIR PERMING L'Oréal (FR) 2007-10-17 EP claimed
WO-2006077170-A1 USE OF AMINODITHIOL AS A REDUCING AGENT FOR HAIR PERMING L'OREAL (FR) 2006-07-27 WO claimed
US-20080138309-A1 Use Of Aminodithiol As A Reducing Agent For Hair Perming L'OREAL S.A. (FR) 2008-06-12 US disclosed
EP-1844007-A1 USE OF AMINODITHIOL AS A REDUCING AGENT FOR HAIR PERMING L'Oréal (FR) 2007-10-17 EP disclosed
WO-2006077170-A1 USE OF AMINODITHIOL AS A REDUCING AGENT FOR HAIR PERMING L'OREAL (FR) 2006-07-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080138309-A1 Use Of Aminodithiol As A Reducing Agent For Hair Perming AASDHPPT, BHMT2, ALAD ENPEP 202/4885PTGS1 1934/4885SLC7A11 310/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.